Header list of 1x5z.pdb file
Complete list - r 2 2 Bytes
HEADER HYDROLASE 17-MAY-05 1X5Z
TITLE SOLUTION STRUCTURE OF THE FIBRONECTIN TYPE-III DOMAIN OF HUMAN PROTEIN
TITLE 2 TYROSINE PHOSPHATASE, RECEPTOR TYPE, D ISOFORM 4 VARIANT
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE DELTA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: FIBRONECTIN TYPE-III DOMAIN;
COMPND 5 SYNONYM: PROTEIN-TYROSINE PHOSPHATASE DELTA, R-PTP-DELTA, PROTEIN
COMPND 6 TYROSINE PHOSPHATASE, RECEPTOR TYPE, D ISOFORM 4;
COMPND 7 EC: 3.1.3.48;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: PTPRD;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050131-05;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS FIBRONECTIN TYPE III DOMAIN CONTAINING PROTEIN, STRUCTURAL GENOMICS,
KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL
KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,
KEYWDS 4 HYDROLASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR M.YONEYAMA,K.SAITO,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,
AUTHOR 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 4 02-MAR-22 1X5Z 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1X5Z 1 VERSN
REVDAT 2 17-JAN-06 1X5Z 1 JRNL TITLE
REVDAT 1 17-NOV-05 1X5Z 0
JRNL AUTH M.YONEYAMA,K.SAITO,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FIBRONECTIN TYPE-III DOMAIN OF
JRNL TITL 2 HUMAN PROTEIN TYROSINE PHOSPHATASE, RECEPTOR TYPE, D ISOFORM
JRNL TITL 3 4 VARIANT
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1X5Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024421.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.37MM FN3 DOMAIN U-15N, 13C;
REMARK 210 20MM D-TRIS-HCL (PH7.0); 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9295, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION,STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 SER A 2 -54.78 -129.77
REMARK 500 1 GLN A 20 144.46 -37.51
REMARK 500 1 PRO A 28 92.19 -69.76
REMARK 500 1 PRO A 41 -177.46 -69.82
REMARK 500 1 SER A 43 108.13 -46.49
REMARK 500 1 ASP A 55 103.08 -56.11
REMARK 500 1 HIS A 58 31.62 -91.88
REMARK 500 1 PRO A 68 82.03 -69.73
REMARK 500 1 ASN A 80 51.80 37.25
REMARK 500 1 ALA A 88 108.22 -162.83
REMARK 500 1 PRO A 112 86.48 -69.79
REMARK 500 2 GLN A 10 94.68 -67.65
REMARK 500 2 GLN A 20 145.80 -38.96
REMARK 500 2 PRO A 28 93.13 -69.77
REMARK 500 2 SER A 43 104.79 -49.37
REMARK 500 2 HIS A 58 34.00 -89.65
REMARK 500 2 PRO A 68 83.16 -69.75
REMARK 500 2 ALA A 100 154.53 -42.50
REMARK 500 3 VAL A 17 146.68 -39.23
REMARK 500 3 PRO A 28 96.96 -69.77
REMARK 500 3 PRO A 41 -176.71 -69.85
REMARK 500 3 ASN A 48 -175.75 -176.24
REMARK 500 3 PRO A 68 79.89 -69.74
REMARK 500 3 THR A 70 -34.30 -131.93
REMARK 500 3 PRO A 92 2.02 -69.78
REMARK 500 4 ASP A 8 79.24 -69.93
REMARK 500 4 GLN A 10 41.08 -104.07
REMARK 500 4 THR A 13 31.25 -83.97
REMARK 500 4 GLN A 20 148.29 -34.56
REMARK 500 4 PRO A 41 -165.16 -69.73
REMARK 500 4 SER A 43 102.01 -45.76
REMARK 500 4 ASN A 48 -175.03 -176.60
REMARK 500 4 ASP A 55 100.38 -55.47
REMARK 500 4 PRO A 68 80.48 -69.79
REMARK 500 4 ALA A 88 105.54 -164.68
REMARK 500 4 THR A 106 176.25 -59.60
REMARK 500 4 GLN A 108 86.00 -52.19
REMARK 500 5 THR A 15 126.43 -39.10
REMARK 500 5 GLN A 20 144.05 -35.32
REMARK 500 5 PRO A 28 93.08 -69.69
REMARK 500 5 SER A 43 103.23 -48.77
REMARK 500 5 HIS A 58 30.82 -86.54
REMARK 500 5 PRO A 68 82.29 -69.71
REMARK 500 5 ALA A 88 105.36 -165.85
REMARK 500 5 PRO A 92 2.17 -69.81
REMARK 500 6 SER A 6 113.82 -174.87
REMARK 500 6 GLN A 20 146.13 -34.51
REMARK 500 6 PRO A 21 -176.79 -69.80
REMARK 500 6 SER A 43 103.40 -43.76
REMARK 500 6 PRO A 68 80.27 -69.70
REMARK 500
REMARK 500 THIS ENTRY HAS 167 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO002001101.1 RELATED DB: TARGETDB
DBREF 1X5Z A 8 109 UNP P23468 PTPRD_HUMAN 506 607
SEQADV 1X5Z GLY A 1 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 2 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 3 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z GLY A 4 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 5 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 6 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z GLY A 7 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 110 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z GLY A 111 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z PRO A 112 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 113 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z SER A 114 UNP P23468 CLONING ARTIFACT
SEQADV 1X5Z GLY A 115 UNP P23468 CLONING ARTIFACT
SEQRES 1 A 115 GLY SER SER GLY SER SER GLY ASP ILE GLN VAL ILE THR
SEQRES 2 A 115 GLN THR GLY VAL PRO GLY GLN PRO LEU ASN PHE LYS ALA
SEQRES 3 A 115 GLU PRO GLU SER GLU THR SER ILE LEU LEU SER TRP THR
SEQRES 4 A 115 PRO PRO ARG SER ASP THR ILE ALA ASN TYR GLU LEU VAL
SEQRES 5 A 115 TYR LYS ASP GLY GLU HIS GLY GLU GLU GLN ARG ILE THR
SEQRES 6 A 115 ILE GLU PRO GLY THR SER TYR ARG LEU GLN GLY LEU LYS
SEQRES 7 A 115 PRO ASN SER LEU TYR TYR PHE ARG LEU ALA ALA ARG SER
SEQRES 8 A 115 PRO GLN GLY LEU GLY ALA SER THR ALA GLU ILE SER ALA
SEQRES 9 A 115 ARG THR MET GLN SER SER GLY PRO SER SER GLY
SHEET 1 A 3 LEU A 22 GLU A 27 0
SHEET 2 A 3 SER A 33 THR A 39 -1 O SER A 37 N LYS A 25
SHEET 3 A 3 SER A 71 GLN A 75 -1 O LEU A 74 N ILE A 34
SHEET 1 B 4 THR A 65 ILE A 66 0
SHEET 2 B 4 ASN A 48 LEU A 51 -1 N TYR A 49 O ILE A 66
SHEET 3 B 4 LEU A 87 ARG A 90 -1 O ARG A 90 N ASN A 48
SHEET 4 B 4 LEU A 95 SER A 98 -1 O GLY A 96 N ALA A 89
SHEET 1 C 3 LYS A 54 ASP A 55 0
SHEET 2 C 3 LEU A 82 PHE A 85 -1 O TYR A 84 N LYS A 54
SHEET 3 C 3 ILE A 102 ARG A 105 -1 O ILE A 102 N PHE A 85
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - r 2 2 Bytes